Evidence map›Paper›PMID 36830654›Full record

ReviewBiomolecules2023

Computational Approaches to the Rational Design of Tubulin-Targeting Agents.

Helena Pérez-Peña, Anne-Catherine Abel, Maxim Shevelev, Andrea E Prota, Stefano Pieraccini, Dragos Horvath

Open access · goldAbstract readReview
In one paragraph

Review in Biomolecules, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
3.5field-weighted citation impact, top 7% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

9 citing papers in PubMed, 23 citations in OpenAlex.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors at 3 institutions in 4 countries.

Helena Pérez-PeñaDepartment of Chemistry, Università degli Studi di Milano, Via Golgi 19, 20133 Milan, Italy.ORCID 0000-0001-7938-4307
Anne-Catherine AbelDepartment of Chemistry, Università degli Studi di Milano, Via Golgi 19, 20133 Milan, Italy.ORCID 0000-0002-2392-9029
Maxim ShevelevLaboratory of Chemoinformatics, Faculty of Chemistry, University of Strasbourg, 4, Rue Blaise Pascal, 67081 Strasbourg, France.
Andrea E ProtaLaboratory of Biomolecular Research, Paul Scherrer Institute, Forschungsstrasse 111, 5232 Villigen, Switzerland.ORCID 0000-0003-0875-5339
Stefano PieracciniDepartment of Chemistry, Università degli Studi di Milano, Via Golgi 19, 20133 Milan, Italy.ORCID 0000-0002-7672-0720
Dragos HorvathLaboratory of Chemoinformatics, Faculty of Chemistry, University of Strasbourg, 4, Rue Blaise Pascal, 67081 Strasbourg, France.ORCID 0000-0003-0173-5714
University of Milan · ITUniversité de Strasbourg · FRPaul Scherrer Institute · CH

Funding

European Union 860070 TUBINTRAIN
6 · The paper itself

Abstract

Microtubules are highly dynamic polymers of α,β-tubulin dimers which play an essential role in numerous cellular processes such as cell proliferation and intracellular transport, making them an attractive target for cancer and neurodegeneration research. To date, a large number of known tubulin binders were derived from natural products, while only one was developed by rational structure-based drug design. Several of these tubulin binders show promising in vitro profiles while presenting unacceptable off-target effects when tested in patients. Therefore, there is a continuing demand for the discovery of safer and more efficient tubulin-targeting agents. Since tubulin structural data is readily available, the employment of computer-aided design techniques can be a key element to focus on the relevant chemical space and guide the design process. Due to the high diversity and quantity of structural data available, we compiled here a guide to the accessible tubulin-ligand structures. Furthermore, we review different ligand and structure-based methods recently used for the successful selection and design of new tubulin-targeting agents.

Indexed as

Antineoplastic AgentsNeoplasmsHumansLigandsMicrotubulesTubulinAntineoplastic AgentsLigandsTubulincomputer-aided drug designmicrotubulesmicrotubule targeting agentsmolecular dockingmolecular dynamics simulationspharmacophore screeningQSARvirtual screening

Identifiers

PMID36830654
PMCPMC9952983
OpenAlexW4319083025

What Socratic holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.